Employing computational tools to design a multi-epitope vaccine targeting human immunodeficiency virus-1 (HIV-1).

BACKGROUND: Despite being in the 21st century, the world has still not been able to vanquish the global AIDS epidemic, and the only foreseeable solution seems to be a safe and effective vaccine. Unfortunately, vaccine trials so far have returned unfruitful results, possibly due to their inability to induce effective cellular, humoral and innate immune responses. The current study aims to tackle these limitations and propose the desired vaccine utilizing immunoinformatic approaches that have returned promising results in designing vaccines against various rapidly mutating organisms. For this, all polyprotein and protein sequences of HIV-1 were retrieved from the LANL (Los Alamos National Laboratory) database. The consensus sequence was generated after alignment and used to predict epitopes. Conserved, antigenic, non-allergenic, T-cell inducing, B-cell inducing, IFN-É£ inducing, non-human homologous epitopes were selected and combined to propose two vaccine constructs i.e., HIV-1a (without adjuvant) and HIV-1b (with adjuvant). RESULTS: HIV-1a and HIV-1b were subjected to antigenicity, allergenicity, structural quality analysis, immune simulations, and MD (molecular dynamics) simulations. Both proposed multi-epitope vaccines were found to be antigenic, non-allergenic, stable, and induce cellular, humoral, and innate immune responses. TLR-3 docking and in-silico cloning of both constructs were also performed. CONCLUSION: Our results indicate HIV-1b to be more promising than HIV-1a; experimental validations can confirm the efficacy and safety of both constructs and in-vivo efficacy in animal models.

Adsorption Study of Novel Gemini Cationic Surfactant in Carbonate Reservoir Cores-Influence of Critical Parameters.

Surfactant flooding is an enhanced oil recovery method that recovers residual and capillary trapped oil by improving pore-scale displacement efficiency. Low retention of injected chemicals is desired to ensure an economic and cost-effective recovery process. This paper examines the adsorption behavior of a novel gemini cationic surfactant on carbonate cores. The rock cores were characterized using an X-ray diffraction (XRD) spectroscope. In addition, the influence of critical parameters on the dynamic adsorption of the cationic gemini surfactant was studied by injecting the surfactant solution through carbonate cores in a core flooding apparatus until an equilibrium state was achieved. The concentration of surfactant was observed using high performance liquid chromatography. Experimental results showed that an increasing surfactant concentration causes higher retention of the surfactant. Moreover, increasing the flow rate to 0.2 mL/min results in lowering the surfactant retention percentage to 17%. At typical high salinity and high temperature conditions, the cationic gemini surfactant demonstrated low retention (0.42 mg/g-rock) on an Indiana limestone core. This study extends the frontier of knowledge in gemini surfactant applications for enhanced oil recovery.